N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide

C25H21FN4O5 — CID 87305785

IUPACN-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NN(C=O)c4cccc(F)c4)cc3)c2cc1OC
InChIInChI=1S/C25H21FN4O5/c1-33-23-13-20-21(14-24(23)34-2)27-11-10-22(20)35-19-8-6-17(7-9-19)28-25(32)29-30(15-31)18-5-3-4-16(26)12-18/h3-15H,1-2H3,(H2,28,29,32)
InChIKeyPABLIOITYJEDSX-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.88
Rot. Bonds8

About N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide (PubChem CID 87305785) has the molecular formula C25H21FN4O5 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide.

Molecular Properties

Compound NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide
PubChem CID87305785
Molecular FormulaC25H21FN4O5
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NN(C=O)c4cccc(F)c4)cc3)c2cc1OC
InChIInChI=1S/C25H21FN4O5/c1-33-23-13-20-21(14-24(23)34-2)27-11-10-22(20)35-19-8-6-17(7-9-19)28-25(32)29-30(15-31)18-5-3-4-16(26)12-18/h3-15H,1-2H3,(H2,28,29,32)
InChIKeyPABLIOITYJEDSX-UHFFFAOYSA-N
XLogP4.88
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide
CID 151588460
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935470

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide?
The IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide (CID 87305785) is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide.
What is the SMILES notation for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide?
The canonical SMILES for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide is COc1cc2nccc(Oc3ccc(NC(=O)NN(C=O)c4cccc(F)c4)cc3)c2cc1OC.
What is the InChIKey of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide?
The InChIKey is PABLIOITYJEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O5/c1-33-23-13-20-21(14-24(23)34-2)27-11-10-22(20)35-19-8-6-17(7-9-19)28-25(32)29-30(15-31)18-5-3-4-16(26)12-18/h3-15H,1-2H3,(H2,28,29,32).
What are the key properties of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide?
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide has a molecular weight of 476.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-N-(3-fluorophenyl)formamide is sourced from PubChem (CID 87305785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).